CID 131631787

2044713-23-5

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC(C)(C)OC(=O)N1CCCCC1(COC)C(=O)O
InChI
InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-8-6-5-7-13(14,9-18-4)10(15)16/h5-9H2,1-4H3,(H,15,16)
InChIKey
CSXPROMAXBDSHB-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 162.7
[M+Na]+ 296.14684 167.2
[M-H]- 272.15034 162.8
[M+NH4]+ 291.19144 178.9
[M+K]+ 312.12078 167.5
[M+H-H2O]+ 256.15488 157.6
[M+HCOO]- 318.15582 176.8
[M+CH3COO]- 332.17147 193.9
[M+Na-2H]- 294.13229 165.1
[M]+ 273.15707 163.2
[M]- 273.15817 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.